2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide

C19H23BrN4O2 — CID 46444817

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H23BrN4O2/c1-14(19(25)22-16-4-6-17(26-2)7-5-16)23-9-11-24(12-10-23)18-8-3-15(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyFLBVIFFOVVZYBS-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 46444817) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID46444817
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H23BrN4O2/c1-14(19(25)22-16-4-6-17(26-2)7-5-16)23-9-11-24(12-10-23)18-8-3-15(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyFLBVIFFOVVZYBS-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
CID 55682733
N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959706
N-(3,5-dimethoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 17427733
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 46444817) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N2CCN(c3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is FLBVIFFOVVZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-14(19(25)22-16-4-6-17(26-2)7-5-16)23-9-11-24(12-10-23)18-8-3-15(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 419.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).